2-amino-2-(4-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone

C19H27N3O3 — CID 120666722

IUPAC2-amino-2-(4-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
SMILESCc1ccc(C(N)C(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C19H27N3O3/c1-14-2-4-15(5-3-14)17(20)19(24)21-8-6-16(7-9-21)18(23)22-10-12-25-13-11-22/h2-5,16-17H,6-13,20H2,1H3
InChIKeyXZAHFJSHNJZIBQ-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.09
Rot. Bonds3

About 2-amino-2-(4-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone

2-amino-2-(4-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone (PubChem CID 120666722) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-amino-2-(4-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-2-(4-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
PubChem CID120666722
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name2-amino-2-(4-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
SMILESCc1ccc(C(N)C(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C19H27N3O3/c1-14-2-4-15(5-3-14)17(20)19(24)21-8-6-16(7-9-21)18(23)22-10-12-25-13-11-22/h2-5,16-17H,6-13,20H2,1H3
InChIKeyXZAHFJSHNJZIBQ-UHFFFAOYSA-N
XLogP1.09
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(4-methylphenyl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone
CID 120669397
2-amino-1-(azepan-1-yl)-2-(4-methylphenyl)ethanone
CID 106151029
3-cyclopropyl-3-(4-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 110425924
3-amino-2-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 119687542
2-amino-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 119297409
2-amino-2-(4-methylphenyl)-1-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone;dihydrochloride
CID 120670473
2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 106151455
2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 120668182
2-amino-1-morpholin-4-yl-2-phenylethanone
CID 24701957
2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 106312840
2-(dimethylamino)-2-(3-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 72849565
2-amino-1-(4-ethenylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride
CID 120668435

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-amino-2-(4-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone (CID 120666722) is 2-amino-2-(4-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-2-(4-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-amino-2-(4-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone is Cc1ccc(C(N)C(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1.
What is the InChIKey of 2-amino-2-(4-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is XZAHFJSHNJZIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14-2-4-15(5-3-14)17(20)19(24)21-8-6-16(7-9-21)18(23)22-10-12-25-13-11-22/h2-5,16-17H,6-13,20H2,1H3.
What are the key properties of 2-amino-2-(4-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone?
2-amino-2-(4-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 345.44 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 120666722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).